REMARK  Name = BDB002632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.304  -0.667  -0.065  0.00  0.00    -0.275 N 
ATOM      2  H   LIG    1        0.895  -0.993   0.688  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        0.672  -0.940  -1.367  0.00  0.00    +0.254 C 
ATOM      4  O   LIG    1       -0.108  -1.016  -2.311  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -2.050   0.317  -0.312  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -3.173   0.260   0.567  0.00  0.00    -0.021 A 
ATOM      7  C   LIG    1       -4.593   0.696   0.508  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -5.198   0.024   1.781  0.00  0.00    +0.010 C 
ATOM      9  C   LIG    1       -4.007  -0.280   2.741  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -2.871  -0.263   1.792  0.00  0.00    -0.004 A 
ATOM     11  S   LIG    1       -1.277  -0.723   1.954  0.00  0.00    -0.077 S 
ATOM     12  C   LIG    1       -0.972  -0.303   0.309  0.00  0.00    +0.087 A 
BRANCH   5  13
ATOM     13  C   LIG    1       -2.070   0.965  -1.618  0.00  0.00    +0.342 C 
ATOM     14  O   LIG    1       -3.076   1.026  -2.317  0.00  0.00    -0.245 OA
BRANCH  13  16
ATOM     15  C   LIG    1       -0.876   2.230  -3.185  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1       -0.894   1.596  -1.908  0.00  0.00    -0.464 OA
ENDBRANCH  13  16
ENDBRANCH   5  13
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  C   LIG    1        2.083  -1.246  -1.539  0.00  0.00    +0.106 A 
ATOM     18  C   LIG    1        2.607  -1.963  -2.597  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1        2.025  -2.596  -3.798  0.00  0.00    +0.090 C 
ATOM     20  O   LIG    1        3.947  -2.097  -2.440  0.00  0.00    -0.359 OA
ATOM     21  N   LIG    1        4.343  -1.459  -1.286  0.00  0.00    -0.077 NA
ATOM     22  C   LIG    1        3.237  -0.909  -0.763  0.00  0.00    +0.127 A 
BRANCH  22  23
ATOM     23  C   LIG    1        3.330  -0.113   0.454  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        3.030   1.258   0.484  0.00  0.00    +0.050 A 
ATOM     25 CL   LIG    1        2.586   2.143  -0.933  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        3.094   1.963   1.691  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.464   1.312   2.868  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.781  -0.044   2.843  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.717  -0.754   1.643  0.00  0.00    +0.011 A 
ENDBRANCH  22  23
ENDBRANCH   3  17
TORSDOF 5